SCHEMBL13635810

SCHEMBL13635810

COc1cc2[nH]nc(-c3cc4ccccc4s3)c2cc1C(=O)N(C)[C@H](CO)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.38
PGK1 P00558 1/20 0.37
RAD52 P43351 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPKAPK2 P49137 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
TNFRSF1A P19438 4/20 0.35
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
ABL1 P00519 1/20 0.34
RIN1 Q13671 1/20 0.34
ERN1 O75460 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4336833 0.82 MAPK10 (0.40) MAPK10PGK1MAPKAPK2SIRT2SIRT1
SCHEMBL2862326 0.81 KDM4E (0.46) MAPK10PGK1MAPKAPK2SIRT2SIRT1
SCHEMBL4329239 0.79 MAPK1 (0.45) MAPK10
SCHEMBL2864411 0.76 MAPK10 (0.46) MAPK10PGK1MAPKAPK2SIRT2SIRT1
SCHEMBL2870547 0.75 RAB9A (0.48) MAPK10MAPKAPK2SIRT2SIRT1ABL1
SCHEMBL4335941 0.73 MAPT (0.49) MAPK10MEN1KMT2A
SCHEMBL4340978 0.73 ALDH1A1 (0.46) MEN1KMT2A
SCHEMBL4326727 0.72 TRPV3 (0.47) MAPK10MAPKAPK2SIRT2SIRT1JAK2
SCHEMBL13198310 0.72 MAPK10 (0.47) MAPK10PGK1MAPKAPK2SIRT2SIRT1
SCHEMBL4337567 0.72 MAPK10 (0.47) MAPK10PGK1MAPKAPK2SIRT2SIRT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1380576-B1 1H-INDAZOLE COMPOUNDS INHIBITING JNK EISAI R&D MAN CO LTD (JP) 2009-11-25 EP disclosed